About Us
The history of Moleculomics and the unique service which we offer
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The Science
A brief introduction of the science and processes behind Moleculomics
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Our Services
An overview of the current range of services which we have to offer
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Latest company and industry news from the biosimulation sector
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About Us & What We Do

Moleculomics provide high performance computing Biosimulation tools, data resources and platforms focussed on system-wide prediction of molecular interactions for the purpose of whole proteome / diverse chemistry in silico lead discovery and pathway analysis, evaluating whole system compound efficacy and toxicity.

The information is of high value to scientific and commercial decisions involved in the development and appropriation of new and existing compounds, by providing the ability to identify and prioritise efficacious leads whilst simultaneously identifying toxic or adverse reactions early in the R&D cycle.

Structural Modelling and Molecular Docking
Moleculomics offers a bespoke protein structure prediction service for individual or small sets of proteins including variants.
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Toxicity Screening
High throughput affinity screening and docking of compounds against panels of proteins of known toxicity to identify and eliminate problem compounds earlier within the R&D cycle
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Tissue Specific Screening
High throughput affinity screening and docking of specified compounds against any of 47 tissue specific panels of proteins to provide molecular and structural information to evaluate compound efficacy and toxicity
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Whole Proteome Screening
High throughput affinity screening and docking of compounds against whole proteomes to provide comprehensive molecular and structural information to evaluate compound efficacy and toxicity
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Pathway Analysis
Annotated Protein-Protein Interaction data pertaining to link Molecular Initiation Events (MIEs) with an understanding of Modes of Action and tissue specific pathway analysis
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Technology Platforms
Prepopulated platforms of protein-ligand or protein-protein interactions developed to your specification providing high value molecular and structural information, integrated to your existing workflow
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Re-Drug: Drug Repositioning
Re-Drug is a comprehensive Artificial Intelligence-based screening technology for the assessment of both on-target (efficacy) and off-target (potential toxicity) of a candidate therapeutic drawn from the pool of around 1400 FDA approved drugs, screened for repositioning opportunities across more than 1400 known drug targets. This whole system framework provides an assessment of the candidate drug’s predicted behaviour based upon comparison with the established mechanistic data for a broad range of currently used drugs, encompassing both drug efficacy and potential toxicity.
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CRISP: Cross-species comparative in silico platform
Comparing liver protein interactions across human, mouse and rat. This tool helps researchers compare compound interactions with liver proteins across 3 species. A compound can be chosen, and a report is produced showing protein interactions in humans, associated pathways, and which proteins are most similar in mouse and rat. This is intended to help inform decisions about whether rat or mouse, or neither, is the most appropriate animal model for studying a specific interaction in humans.
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